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Home > Bromides > 1261680-97-0
1261680-97-0 | Benzeneacetic acid, 2-bromo-5-iodo-
CAS No: 1261680-97-0 Catalog No: AG000RYA MDL No:
Product Description
Catalog Number:
AG000RYA
Chemical Name:
Benzeneacetic acid, 2-bromo-5-iodo-
CAS Number:
1261680-97-0
Molecular Formula:
C8H6BrIO2
Molecular Weight:
340.9405
IUPAC Name:
2-(2-bromo-5-iodophenyl)acetic acid
InChI:
InChI=1S/C8H6BrIO2/c9-7-2-1-6(10)3-5(7)4-8(11)12/h1-3H,4H2,(H,11,12)
InChI Key:
WHMODYPOLXKNLQ-UHFFFAOYSA-N
SMILES:
OC(=O)Cc1cc(I)ccc1Br
Properties
Complexity:
174
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
339.86g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
340.942g/mol
Monoisotopic Mass:
339.86g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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